5-butyl-3,5-dimethyl-1H-pyrazol-4-one

Systemtic Name: 5-butyl-3,5-dimethyl-1H-pyrazol-4-one Openeye Name: 5-butyl-3,5-dimethyl-1H-pyrazol-4-one CAS Name: 5-butyl-3,5-dimethyl-1H-pyrazol-4-one IUPAC Name: 5-butyl-3,5-dimethyl-1H-pyrazol-4-one Traditional Name: 3-butyl-3,5-dimethyl-2-pyrazolin-4-one Formula: C9H16N2O MolecularWeight: 168.23614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(=O)C(=NN1)C)C

Isomeric SMILES

CCCCC1(C(=O)C(=NN1)C)C

InChI

InChI=1S/C9H16N2O/c1-4-5-6-9(3)8(12)7(2)10-11-9/h11H,4-6H2,1-3H3